N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide

C20H24N2O3S — CID 1071416

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-16-11-13-22(14-12-16)26(24,25)19-9-7-18(8-10-19)21-20(23)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeyNYIDRMNVWWXQDA-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.29
Rot. Bonds5

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide (PubChem CID 1071416) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide
PubChem CID1071416
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-16-11-13-22(14-12-16)26(24,25)19-9-7-18(8-10-19)21-20(23)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeyNYIDRMNVWWXQDA-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
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CID 4547230
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7601955
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide (CID 1071416) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide?
The InChIKey is NYIDRMNVWWXQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-11-13-22(14-12-16)26(24,25)19-9-7-18(8-10-19)21-20(23)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,21,23).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide has a molecular weight of 372.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide is sourced from PubChem (CID 1071416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).